2-pyrrol-1-yl-5-(trifluoromethyl)aniline

C11H9F3N2 — CID 2779962

IUPAC2-pyrrol-1-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-n1cccc1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h1-7H,15H2
InChIKeyBTLPAJJJYDQMKE-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.08
Rot. Bonds1

About 2-pyrrol-1-yl-5-(trifluoromethyl)aniline

2-pyrrol-1-yl-5-(trifluoromethyl)aniline (PubChem CID 2779962) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-pyrrol-1-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-pyrrol-1-yl-5-(trifluoromethyl)aniline
PubChem CID2779962
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name2-pyrrol-1-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-n1cccc1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h1-7H,15H2
InChIKeyBTLPAJJJYDQMKE-UHFFFAOYSA-N
XLogP3.08
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-pyrrol-1-yl-5-(trifluoromethyl)aniline (CID 2779962) is 2-pyrrol-1-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-pyrrol-1-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-pyrrol-1-yl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1-n1cccc1.
What is the InChIKey of 2-pyrrol-1-yl-5-(trifluoromethyl)aniline?
The InChIKey is BTLPAJJJYDQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h1-7H,15H2.
What are the key properties of 2-pyrrol-1-yl-5-(trifluoromethyl)aniline?
2-pyrrol-1-yl-5-(trifluoromethyl)aniline has a molecular weight of 226.20 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 2779962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).